CID 265727

27172-29-8

Structural Information

Molecular Formula
C24H14O6
SMILES
C1=CC=C2C(=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C4=C(C(=O)C5=CC=CC=C5O4)O)O
InChI
InChI=1S/C24H14O6/c25-19-15-5-1-3-7-17(15)29-23(21(19)27)13-9-11-14(12-10-13)24-22(28)20(26)16-6-2-4-8-18(16)30-24/h1-12,27-28H
InChIKey
FLOSYNKAKASKDD-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[4-(3-hydroxy-4-oxochromen-2-yl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

398.07904 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.08632 193.5
[M+Na]+ 421.06826 205.7
[M-H]- 397.07176 205.7
[M+NH4]+ 416.11286 202.3
[M+K]+ 437.04220 202.4
[M+H-H2O]+ 381.07630 182.8
[M+HCOO]- 443.07724 212.2
[M+CH3COO]- 457.09289 204.8
[M+Na-2H]- 419.05371 200.4
[M]+ 398.07849 199.3
[M]- 398.07959 199.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe